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SMILES: [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=C[C@@H](C[N+]([O-])=O)c4c(C)c(O)c(O)cc4[C@]3(C)CC[C@@]21C)C(O)=O

InChI Key: InChIKey=PWMPMLPFFOITIJ-NVHHSDGASA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50524690   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM50524690
PNG
(CHEMBL4463133)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=C[C@@H](C[N+]([O-])=O)c4c(C)c(O)c(O)cc4[C@]3(C)CC[C@@]21C)C(O)=O |r,t:14|
Show InChI InChI=1S/C30H41NO6/c1-17-23-18(16-31(36)37)13-21-28(4,19(23)14-20(32)24(17)33)10-12-30(6)22-15-27(3,25(34)35)8-7-26(22,2)9-11-29(21,30)5/h13-14,18,22,32-33H,7-12,15-16H2,1-6H3,(H,34,35)/t18-,22+,26+,27+,28-,29+,30-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/an/a 5.56E+3n/an/an/an/an/a



Xiamen University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His-tagged Nur77 LBD (367 to 598 residues) expressed in Escherichia coli BL21(DE3) incubated for 30 ...

Eur J Med Chem 177: 171-187 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.009
BindingDB Entry DOI: 10.7270/Q28D00P6
More data for this
Ligand-Target Pair